Vitas-M small molecule compound

ethyl 2-({(Z)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Catalog ID
STK567357
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cccs2)/C#N)sc(c1C)C(=O)Nc1ccccc1OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H22N4O4S3 MW 550.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4S3/c1-4-34-26(32)21-15(2)22(23(31)29-17-8-5-6-9-19(17)33-3)37-25(21)28-13-16(12-27)24-30-18(14-36-24)20-10-7-11-35-20/h5-11,13-14,28H,4H2,1-3H3,(H,29,31)/b16-13-
InChIKey
CILGQPWOQQFYJM-SSZFMOIBSA-N
Synonyms

(Z)ethyl2((2cyano2(4(thiophen2yl)thiazol2yl)vinyl)amino)5((2methoxyphenyl)carbamoyl)4methylthiophene3carboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2OC)NC=C(C#N)C3=NC(=CS3)C4=CC=CS4
CCOC(=O)c1c(NC=C(c2scc(n2)c2cccs2)C#N)sc(c1C)C(=O)Nc1ccccc1OC
ethyl2(((Z)2cyano2(4(thiophen2yl)13thiazol2yl)ethenyl)amino)5((2methoxyphenyl)carbamoyl)4methylthiophene3carboxylate
ETHYL2(((Z)2CYANO2(4THIOPHEN2YL13THIAZOL2YL)ETHENYL)AMINO)5((2METHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC26H22N4O4S3c143426(32)2115(2)22(23(31)2917856919(17)333)3725(21)281316(1227)243018(143624)20107113520h511131428H4H213H3(H2931)b1613
MFCD05736761
ZINC000001899804
ZINC01899804
ZINC1899804

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.